Ir_00

• Functional : GGA X Becke C Lee/Yang/Parr
• orbitals : sd (Löwdin)
• Autor : Daniel.G.Trabada
• method : charge_Irs100700d400700 automatic generation
• cristal = fcc
• E_min = -508.82
• a_min = 3.881 angs
• Bulk modulus = 408 GPa
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